3-(3-FORMYL-2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID (CAS 409353-42-0) — formula C14H13NO3, molecular weight 243.26; category organic chemicals.
| CAS Number | 409353-42-0 |
|---|---|
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.26 |
| LogP | 2.1 |
| Category | Organic Chemicals |
3-(3-FORMYL-2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID is a carbon-based organic compound with CAS registry number 409353-42-0 and molecular formula C14H13NO3 (molecular weight 243.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 409353-42-0
Its molecular formula C14H13NO3 comprises 14 C, 13 H, 1 N, 3 O atoms.
Also known as: 3-(3-FORMYL-2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID · 3-(3-甲酰基-2,5-二甲基-吡咯-1-YL)-苯甲酸
Category: organic chemicals
The CAS registry number of 3-(3-FORMYL-2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID is 409353-42-0.
Molecular formula C14H13NO3, molecular weight 243.26.
It is also registered under: 3-(3-FORMYL-2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID, 3-(3-甲酰基-2,5-二甲基-吡咯-1-YL)-苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-(3-FORMYL-2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID (CAS 409353-42-0), compiled from public chemistry databases.
| CAS 号 | 409353-42-0 |
|---|---|
| PubChem CID | 801678 |
| 分子式 | C14H13NO3 |
| IUPAC 名称 | 3-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid |
| UNII（FDA） | HMS2640J23 |
| Molecular Weight | 243.26 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 243.08954328 |
| Monoisotopic Mass | 243.08954328 |
| Topological Polar Surface Area | 59.3 |
| Heavy Atom Count | 18 |
3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid; RefChem:492050; 865-691-0; 409353-42-0; 3-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-benzoic acid; 3-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid; MLS000713730; 3-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid; SMR000273211; 3-(3-formyl-2,5-dimethyl-1-pyrrolyl)benzoic acid; Oprea1_236668; Oprea1_798598; cid_801678; CHEMBL1594591; SCHEMBL15331958; BDBM82790
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
3-(3-甲酰基-2,5-二甲基-吡咯-1-YL)-苯甲酸 · CAS 409353-42-0 · C14H13NO3. UNII HMS2640J23.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.